Sugi Predict

Sugi Predict / Compounds / SCHEMBL5475666

SCHEMBL5475666

SCHEMBL5475666

CC[C@H](NC(=O)[C@@H](N)CC1(C)CCCC1)C(O)c1nc2ccccc2o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 6/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HDAC3 O15379 2/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC7 Q8WUI4 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC10 Q969S8 2/20 0.34
▸ HDAC11 Q96DB2 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC9 Q9UKV0 2/20 0.34
▸ HDAC5 Q9UQL6 2/20 0.34
▸ NPC1 O15118 5/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GALK1 P51570 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5475660 1.00 TSHR (0.35) TSHRRAB9AALOX15HDAC3HDAC4
SCHEMBL5516628 0.84 TSHR (0.39) TSHRRAB9AHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL5946048 0.82 HDAC3 (0.40) TSHRRAB9AHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL5946008 0.82 CTSS (0.42) RAB9ANPC1
SCHEMBL6206918 0.82 METAP2 (0.40) TSHRRAB9AALOX15NPC1GALK1
SCHEMBL5946038 0.81 ATM (0.40) —
SCHEMBL5460212 0.81 ATM (0.40) —
SCHEMBL5460216 0.81 ATM (0.40) —
SCHEMBL5460207 0.81 ATM (0.40) —
SCHEMBL5945973 0.78 CTSS (0.34) TSHRRAB9AHDAC3HDAC4HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105892-A1 Amidino compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-05-10 — — US disclosed
US-20070105892-A1 Amidino compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-05-10 — — US disclosed
US-20070105892-A1 Amidino compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-05-10 — — US disclosed
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 — — US disclosed
WO-2005063742-A2 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-07-14 — — WO disclosed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070105892-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS TSHR 4193/4885RAB9A 966/4885ALOX15 1384/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS TSHR 4605/4885RAB9A 1368/4885ALOX15 2330/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.